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AMINO-(2-ETHYL-3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YLIDENE)-ACETONITRILE;(Z)-ISOMER
SpectraBase Compound ID AkoY3yEUGDn
InChI InChI=1S/C12H11N3O/c1-2-15-11(10(14)7-13)8-5-3-4-6-9(8)12(15)16/h3-6H,2,14H2,1H3/b11-10-
InChIKey LWJRZLDGGNPQHR-KHPPLWFESA-N
Mol Weight 213.24 g/mol
Molecular Formula C12H11N3O
Exact Mass 213.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9BC7wbj3VdI
Name AMINO-(2-ETHYL-3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YLIDENE)-ACETONITRILE;(Z)-ISOMER
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3O
InChI InChI=1S/C12H11N3O/c1-2-15-11(10(14)7-13)8-5-3-4-6-9(8)12(15)16/h3-6H,2,14H2,1H3/b11-10-
InChIKey LWJRZLDGGNPQHR-KHPPLWFESA-N
Literature Reference Author T.OPATZ,D.FERENC
Literature Reference Citation J.ORG.CHEM.,69,8496(2004)
Literature Reference DOI 10.1021/jo0486802
Molecular Weight 213.239 g/mol
Solvent DMSO-D6
Source File Reference UWVN22923